Details of the Drug

General Information of Drug (ID: DM4UWYF)

Drug Name

Ethyl 3-(pyridin-4-yl)-1H-indole-6-carboxylate

Synonyms

CHEMBL208261; ethyl 3-(pyridin-4-yl)-1H-indole-6-carboxylate

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

266.29

Logarithm of the Partition Coefficient (xlogp)

2.8

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C16H14N2O2
IUPAC Name: ethyl 3-pyridin-4-yl-1H-indole-6-carboxylate
Canonical SMILES: CCOC(=O)C1=CC2=C(C=C1)C(=CN2)C3=CC=NC=C3
InChI: InChI=1S/C16H14N2O2/c1-2-20-16(19)12-3-4-13-14(10-18-15(13)9-12)11-5-7-17-8-6-11/h3-10,18H,2H2,1H3
InChIKey: HFXZBVKGWWNQBD-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Inosine-5'-monophosphate dehydrogenase 2 (IMPDH2)	TTTB4UP	IMDH2_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Novel indole inhibitors of IMPDH from fragments: synthesis and initial structure-activity relationships. Bioorg Med Chem Lett. 2006 May 1;16(9):2539-42.